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Local and electronic structure of fluorinated single-walled carbon nanotubes: X-ray absorption and DFT Analysis

Maria Brzhezinskaya1,2, Galina Yalovega3, Valentina A Shmatko2, Anatoliy Krestinin4 and Alexander Vinogradov2

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The paper presents the results of investigation of the chemical bond formation in fluorinated single-walled carbon nanotubes using X-ray absorption spectroscopy. All measurements were performed with the use of synchrotron radiation at the BESSY II. The C1s and F1s absorption spectra point to formation of covalent chemical bonding between the fluorine and carbon atoms in F-SWCNTs. The investigation of the local structure of the F-SWCNTs has been done on the basis of calculations by the Density Function Theory and Finite Difference methods.


PACS

61.46.Fg Nanotubes

78.70.Dm X-ray absorption spectra

71.15.Mb Density functional theory, local density approximation, gradient and other corrections

73.22.-f Electronic structure of nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals

Subjects

Condensed matter: electrical, magnetic and optical

Nanoscale science and low-D systems

Dates

Issue 1 (2009)



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